Nsc676934

Structural Information

Molecular Formula

C₇₄H₁₁₂N₂₄O₁₆S

SMILES

CC(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC=N3)C(=O)NC(CO)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NCCCCC(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)CCS

InChI

InChI=1S/C74H112N24O16S/c1-40(88-61(102)26-31-115)63(104)89-42(3)66(107)95-56(33-45-36-85-50-19-8-6-17-48(45)50)71(112)97-57(34-46-37-81-39-86-46)72(113)98-58(38-99)73(114)96-55(32-44-35-84-49-18-7-5-16-47(44)49)67(108)82-29-14-11-23-60(101)87-41(2)64(105)93-54(24-25-59(77)100)70(111)94-52(21-10-13-28-76)68(109)90-43(4)65(106)92-53(22-15-30-83-74(79)80)69(110)91-51(62(78)103)20-9-12-27-75/h5-8,16-19,35-37,39-43,51-58,84-85,99,115H,9-15,20-34,38,75-76H2,1-4H3,(H2,77,100)(H2,78,103)(H,81,86)(H,82,108)(H,87,101)(H,88,102)(H,89,104)(H,90,109)(H,91,110)(H,92,106)(H,93,105)(H,94,111)(H,95,107)(H,96,114)(H,97,112)(H,98,113)(H4,79,80,83)

InChIKey

SXVBLCQJSSGGFJ-UHFFFAOYSA-N

Compound name

N-[6-amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-2-[2-[5-[[2-[[3-hydroxy-2-[[3-(1H-imidazol-4-yl)-2-[[3-(1H-indol-3-yl)-2-[2-[2-(3-sulfanylpropanoylamino)propanoylamino]propanoylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoylamino]propanoylamino]pentanediamide

Related CIDs

• CID 16129813